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{
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{
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{
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"structure_string": "U2 Ge4 Pt4\n1.0\n4.299559 0.000000 0.000000\n0.000000 4.299559 0.000000\n0.000000 0.000000 10.174184\nU Ge Pt\n2 4 4\ndirect\n0.000000 0.500000 0.250111 U\n0.500000 0.000000 0.749889 U\n0.000000 0.000000 0.500000 Ge\n0.500000 0.500000 0.500000 Ge\n0.000000 0.500000 0.865224 Ge\n0.500000 0.000000 0.134776 Ge\n0.000000 0.000000 0.000000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.500000 0.628011 Pt\n0.500000 0.000000 0.371989 Pt\n",
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{
"id": "mp-10769",
"created_at": "2022-09-04T14:46:17.704026Z",
"structure_string": "Ba2 Sb2 Au2\n1.0\n2.842502 -4.923358 0.000000\n2.842502 4.923358 0.000000\n0.000000 0.000000 6.907174\nBa Sb Au\n2 2 2\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.666667 0.333333 0.250000 Sb\n0.333333 0.666667 0.750000 Sb\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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},
{
"id": "mp-652683",
"created_at": "2022-09-04T14:46:17.720067Z",
"structure_string": "Ba8 Fe24 O44\n1.0\n5.268352 0.000000 0.000000\n0.000000 9.096086 0.000000\n0.000000 0.000000 23.539778\nBa Fe O\n8 24 44\ndirect\n0.393338 0.000000 0.359719 Ba\n0.523230 0.500000 0.653550 Ba\n0.976770 0.000000 0.153550 Ba\n0.606662 0.000000 0.640281 Ba\n0.476770 0.500000 0.346450 Ba\n0.106662 0.500000 0.859719 Ba\n0.023230 0.000000 0.846450 Ba\n0.893338 0.500000 0.140281 Ba\n0.500000 0.833580 0.500000 Fe\n0.494539 0.178809 0.072962 Fe\n0.000000 0.000000 0.500000 Fe\n0.994539 0.678809 0.427038 Fe\n0.390877 0.294055 0.214175 Fe\n0.500000 0.166420 0.500000 Fe\n0.000000 0.333580 0.000000 Fe\n0.005461 0.321191 0.572962 Fe\n0.994539 0.321191 0.427038 Fe\n0.890877 0.205945 0.285825 Fe\n0.890877 0.794055 0.285825 Fe\n0.390877 0.705945 0.214175 Fe\n0.609123 0.294055 0.785825 Fe\n0.000000 0.666420 0.000000 Fe\n0.609123 0.705945 0.785825 Fe\n0.109123 0.205945 0.714175 Fe\n0.500000 0.500000 0.500000 Fe\n0.494539 0.821191 0.072962 Fe\n0.505461 0.821191 0.927038 Fe\n0.505461 0.178809 0.927038 Fe\n0.109123 0.794055 0.714175 Fe\n0.000000 0.000000 0.000000 Fe\n0.005461 0.678809 0.572962 Fe\n0.500000 0.500000 0.000000 Fe\n0.680572 0.345263 0.049301 O\n0.180572 0.154737 0.450699 O\n0.968781 0.736489 0.785746 O\n0.531219 0.236489 0.285746 O\n0.008650 0.676471 0.346586 O\n0.991350 0.676471 0.653414 O\n0.319428 0.345263 0.950699 O\n0.531219 0.763511 0.285746 O\n0.182949 0.500000 0.444812 O\n0.947752 0.000000 0.296518 O\n0.552248 0.500000 0.796518 O\n0.671820 0.000000 0.455292 O\n0.680572 0.654737 0.049301 O\n0.828180 0.500000 0.955292 O\n0.052248 0.000000 0.703482 O\n0.148982 0.163106 0.049314 O\n0.171820 0.500000 0.044708 O\n0.851018 0.163106 0.950686 O\n0.031219 0.736489 0.214254 O\n0.991350 0.323529 0.653414 O\n0.468781 0.236489 0.714254 O\n0.682949 0.000000 0.055188 O\n0.468781 0.763511 0.714254 O\n0.351018 0.663106 0.549314 O\n0.491350 0.823529 0.846586 O\n0.447752 0.500000 0.203482 O\n0.031219 0.263511 0.214254 O\n0.508650 0.823529 0.153414 O\n0.317051 0.000000 0.944812 O\n0.148982 0.836894 0.049314 O\n0.508650 0.176471 0.153414 O\n0.968781 0.263511 0.785746 O\n0.351018 0.336894 0.549314 O\n0.319428 0.654737 0.950699 O\n0.819428 0.845263 0.549301 O\n0.817051 0.500000 0.555188 O\n0.180572 0.845263 0.450699 O\n0.008650 0.323529 0.346586 O\n0.851018 0.836894 0.950686 O\n0.328180 0.000000 0.544708 O\n0.648982 0.663106 0.450686 O\n0.648982 0.336894 0.450686 O\n0.819428 0.154737 0.549301 O\n0.491350 0.176471 0.846586 O\n",
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{
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"structure_string": "Mo3 H1\n1.0\n0.000000 3.039574 3.039574\n3.039574 0.000000 3.039574\n3.039574 3.039574 0.000000\nMo H\n3 1\ndirect\n0.250000 0.250000 0.250000 Mo\n0.750000 0.750000 0.750000 Mo\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 H\n",
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{
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"created_at": "2022-09-04T14:46:17.724985Z",
"structure_string": "Ba12 B4 P12 O48\n1.0\n-3.597494 7.239348 11.310691\n3.597494 -7.239348 11.310691\n3.597494 7.239348 -11.310691\nBa B P O\n12 4 12 48\ndirect\n0.569312 0.750000 0.319312 Ba\n0.930688 0.250000 0.180688 Ba\n0.430688 0.250000 0.680688 Ba\n0.069312 0.750000 0.819312 Ba\n0.211078 0.673447 0.236426 Ba\n0.288922 0.525348 0.462369 Ba\n0.562979 0.826553 0.037631 Ba\n0.937021 0.974652 0.263574 Ba\n0.788922 0.326553 0.763574 Ba\n0.711078 0.474652 0.537631 Ba\n0.437021 0.173447 0.962369 Ba\n0.062979 0.025348 0.736426 Ba\n0.167161 0.417161 0.750000 B\n0.832839 0.582839 0.250000 B\n0.667161 0.917161 0.750000 B\n0.332839 0.082839 0.250000 B\n0.964719 0.505218 0.788509 P\n0.535281 0.323790 0.540499 P\n0.283291 0.994782 0.959501 P\n0.216709 0.176210 0.711491 P\n0.035281 0.494782 0.211491 P\n0.464719 0.676210 0.459501 P\n0.716709 0.005218 0.040499 P\n0.783291 0.823790 0.288509 P\n0.324270 0.750000 0.074270 P\n0.175730 0.250000 0.425730 P\n0.675730 0.250000 0.925730 P\n0.824270 0.750000 0.574270 P\n0.070579 0.351150 0.177633 O\n0.570579 0.392945 0.719429 O\n0.173516 0.851150 0.780571 O\n0.326484 0.107055 0.677633 O\n0.952323 0.615946 0.333663 O\n0.547677 0.881340 0.663623 O\n0.717717 0.884054 0.836377 O\n0.782283 0.618660 0.166337 O\n0.047677 0.384054 0.666337 O\n0.452323 0.118660 0.336377 O\n0.282283 0.115946 0.163623 O\n0.217717 0.381340 0.833663 O\n0.705603 0.783615 0.580941 O\n0.794397 0.375338 0.078012 O\n0.368041 0.735777 0.522854 O\n0.702674 0.124662 0.919059 O\n0.294397 0.216385 0.419059 O\n0.205603 0.624662 0.921988 O\n0.202674 0.283615 0.578012 O\n0.297326 0.875338 0.080941 O\n0.673516 0.892945 0.322367 O\n0.929421 0.648850 0.822367 O\n0.826484 0.148850 0.219429 O\n0.429421 0.607055 0.280571 O\n0.880844 0.975714 0.496336 O\n0.619156 0.115491 0.094870 O\n0.520621 0.524286 0.405130 O\n0.979379 0.384509 0.003664 O\n0.119156 0.024286 0.503664 O\n0.380844 0.884509 0.905130 O\n0.479379 0.475714 0.594870 O\n0.020621 0.615491 0.996336 O\n0.912215 0.928865 0.784692 O\n0.587785 0.372477 0.016650 O\n0.855827 0.571135 0.483350 O\n0.644173 0.127523 0.715308 O\n0.087785 0.071135 0.215308 O\n0.412215 0.627523 0.983350 O\n0.144173 0.428865 0.516650 O\n0.355827 0.872477 0.284692 O\n0.287078 0.154813 0.022854 O\n0.212922 0.235777 0.867736 O\n0.868041 0.345187 0.632264 O\n0.631959 0.264223 0.477146 O\n0.712922 0.845187 0.977146 O\n0.787078 0.764223 0.132264 O\n0.131959 0.654813 0.367736 O\n0.797326 0.716385 0.421988 O\n",
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"formula_full": "Ba12 B4 P12 O48",
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{
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"structure_string": "Cu2 Pt2 O4\n1.0\n4.299130 0.000000 0.000000\n0.000000 4.311723 0.000000\n0.000000 0.000000 5.286640\nCu Pt O\n2 2 4\ndirect\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n0.237999 0.750000 0.250000 O\n0.237999 0.750000 0.750000 O\n0.762001 0.250000 0.250000 O\n0.762001 0.250000 0.750000 O\n",
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{
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"structure_string": "Pr4 Mo4 O16 F4\n1.0\n6.651184 0.000000 0.000000\n0.000000 7.081619 0.000000\n0.000000 4.450899 9.153064\nPr Mo O F\n4 4 16 4\ndirect\n0.628964 0.803442 0.422024 Pr\n0.871036 0.803442 0.922024 Pr\n0.371036 0.196558 0.577976 Pr\n0.128964 0.196558 0.077976 Pr\n0.636180 0.334003 0.834832 Mo\n0.863820 0.334003 0.334832 Mo\n0.363820 0.665997 0.165168 Mo\n0.136180 0.665997 0.665168 Mo\n0.660382 0.552922 0.872914 O\n0.839618 0.552922 0.372914 O\n0.339618 0.447078 0.127086 O\n0.160382 0.447078 0.627086 O\n0.902789 0.785821 0.588593 O\n0.597211 0.785821 0.088593 O\n0.097211 0.214179 0.411407 O\n0.402789 0.214179 0.911407 O\n0.607784 0.439280 0.636762 O\n0.892216 0.439280 0.136762 O\n0.392216 0.560720 0.363238 O\n0.107784 0.560720 0.863238 O\n0.856680 0.165988 0.918549 O\n0.643320 0.165988 0.418549 O\n0.143320 0.834012 0.081451 O\n0.356680 0.834012 0.581451 O\n0.883456 0.013412 0.260728 F\n0.616544 0.013412 0.760728 F\n0.116544 0.986588 0.739272 F\n0.383456 0.986588 0.239272 F\n",
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{
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{
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},
{
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"structure_string": "Al20 Cu10 O40\n1.0\n2.874422 5.006587 0.000000\n-2.874422 5.006587 0.000000\n0.000000 3.117418 23.505950\nAl Cu O\n20 10 40\ndirect\n0.652598 0.652598 0.050553 Al\n0.120740 0.628746 0.125393 Al\n0.254478 0.254478 0.249205 Al\n0.325264 0.325264 0.023402 Al\n0.628746 0.120740 0.125393 Al\n0.720520 0.228932 0.325556 Al\n0.924147 0.924147 0.223762 Al\n0.854469 0.854469 0.449130 Al\n0.228932 0.720520 0.325556 Al\n0.320566 0.829090 0.525453 Al\n0.524188 0.524188 0.423866 Al\n0.454923 0.454923 0.648037 Al\n0.829090 0.320566 0.525453 Al\n0.920859 0.427915 0.725720 Al\n0.125349 0.125349 0.623922 Al\n0.523067 0.523067 0.925336 Al\n0.427915 0.920859 0.725720 Al\n0.722387 0.722387 0.826610 Al\n0.522862 0.027372 0.925191 Al\n0.027372 0.522862 0.925191 Al\n0.000628 0.000628 0.999003 Cu\n0.599071 0.599071 0.200202 Cu\n0.120353 0.120353 0.125312 Cu\n0.198892 0.198892 0.400254 Cu\n0.720051 0.720051 0.325687 Cu\n0.799054 0.799054 0.600915 Cu\n0.320203 0.320203 0.525403 Cu\n0.399556 0.399556 0.800797 Cu\n0.921140 0.921140 0.725922 Cu\n0.048339 0.048339 0.849508 Cu\n0.996896 0.481708 0.073843 O\n0.481708 0.996896 0.073843 O\n0.286371 0.286371 0.171188 O\n0.792985 0.792985 0.171938 O\n0.596276 0.080433 0.273953 O\n0.466395 0.466395 0.077087 O\n0.886952 0.886952 0.370919 O\n0.080433 0.596276 0.273953 O\n0.780362 0.236892 0.174210 O\n0.963007 0.963007 0.082102 O\n0.392854 0.392854 0.372163 O\n0.236892 0.780362 0.174210 O\n0.067600 0.067600 0.276076 O\n0.196087 0.680607 0.473774 O\n0.680607 0.196087 0.473774 O\n0.379752 0.837307 0.374329 O\n0.562372 0.562372 0.282783 O\n0.487531 0.487531 0.569796 O\n0.993249 0.993249 0.571895 O\n0.794957 0.283847 0.672447 O\n0.667939 0.667939 0.475609 O\n0.837307 0.379752 0.374329 O\n0.283847 0.794957 0.672447 O\n0.086769 0.086769 0.763308 O\n0.980149 0.438788 0.573815 O\n0.162666 0.162666 0.482656 O\n0.593184 0.593184 0.772404 O\n0.412992 0.850935 0.880456 O\n0.271091 0.271091 0.673880 O\n0.438788 0.980149 0.573815 O\n0.850935 0.412992 0.880456 O\n0.577660 0.037416 0.775689 O\n0.674518 0.674518 0.973714 O\n0.765651 0.765651 0.683769 O\n0.195905 0.195905 0.972490 O\n0.851358 0.851358 0.880640 O\n0.037416 0.577660 0.775689 O\n0.370591 0.370591 0.884340 O\n0.196783 0.635514 0.972395 O\n0.635514 0.196783 0.972395 O\n",
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"volume": 676.5503128539888,
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"formula_full": "Al20 Cu10 O40",
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}
]
}